(phenylmethyl) 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: benzyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylic acid benzyl ester Formula: C29H40N8O2 MolecularWeight: 532.6803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C29H40N8O2/c30-21-10-12-22(13-11-21)33-28-34-26(25-27(35-28)37(19-31-25)24-8-4-5-9-24)32-23-14-16-36(17-15-23)29(38)39-18-20-6-2-1-3-7-20/h1-3,6-7,19,21-24H,4-5,8-18,30H2,(H2,32,33,34,35)